[5-[3-methylsulfanyl-5-(1H-pyrazol-4-yl)phenyl]sulfanylthiophen-2-yl]methanamine

C15H15N3S3 — CID 145352747

IUPAC[5-[3-methylsulfanyl-5-(1H-pyrazol-4-yl)phenyl]sulfanylthiophen-2-yl]methanamine
SMILESCSc1cc(Sc2ccc(CN)s2)cc(-c2cn[nH]c2)c1
InChIInChI=1S/C15H15N3S3/c1-19-13-4-10(11-8-17-18-9-11)5-14(6-13)21-15-3-2-12(7-16)20-15/h2-6,8-9H,7,16H2,1H3,(H,17,18)
InChIKeyJKTQPQSHFDUISB-UHFFFAOYSA-N
MW333.51 g/mol
LogP4.47
Rot. Bonds5

About [5-[3-methylsulfanyl-5-(1H-pyrazol-4-yl)phenyl]sulfanylthiophen-2-yl]methanamine

[5-[3-methylsulfanyl-5-(1H-pyrazol-4-yl)phenyl]sulfanylthiophen-2-yl]methanamine (PubChem CID 145352747) has the molecular formula C15H15N3S3 and a molecular weight of 333.51 g/mol. Its IUPAC name is [5-[3-methylsulfanyl-5-(1H-pyrazol-4-yl)phenyl]sulfanylthiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-[3-methylsulfanyl-5-(1H-pyrazol-4-yl)phenyl]sulfanylthiophen-2-yl]methanamine
PubChem CID145352747
Molecular FormulaC15H15N3S3
Molecular Weight333.51 g/mol
Exact Mass333.04
IUPAC Name[5-[3-methylsulfanyl-5-(1H-pyrazol-4-yl)phenyl]sulfanylthiophen-2-yl]methanamine
SMILESCSc1cc(Sc2ccc(CN)s2)cc(-c2cn[nH]c2)c1
InChIInChI=1S/C15H15N3S3/c1-19-13-4-10(11-8-17-18-9-11)5-14(6-13)21-15-3-2-12(7-16)20-15/h2-6,8-9H,7,16H2,1H3,(H,17,18)
InChIKeyJKTQPQSHFDUISB-UHFFFAOYSA-N
XLogP4.47
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.51
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[3-methylsulfonyl-5-(1H-pyrazol-4-yl)phenyl]sulfonylthiophen-2-yl]methanamine;dihydrochloride
CID 130345070
US10807974, Example 127
CID 130345071
2-methylsulfanyl-4-phenyl-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile
CID 2821046
4-(thiophen-3-yl)-1H-pyrazole
CID 818921
4-(thiophen-2-yl)-1H-pyrazole
CID 818922
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 6625363
4-(3-fluorophenyl)-5-thiophen-2-yl-1H-pyrazole
CID 9921169
4-(3-fluorophenyl)-5-thiophen-3-yl-1H-pyrazole
CID 59888697
4-[1-(3-propylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole
CID 67533633
4-[1-(3-ethylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole
CID 67533794
4-[1-(3-propan-2-ylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole
CID 67533863
4-[1-(3-methylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole
CID 67534087

Frequently Asked Questions

What is the IUPAC name of [5-[3-methylsulfanyl-5-(1H-pyrazol-4-yl)phenyl]sulfanylthiophen-2-yl]methanamine?
The IUPAC name of [5-[3-methylsulfanyl-5-(1H-pyrazol-4-yl)phenyl]sulfanylthiophen-2-yl]methanamine (CID 145352747) is [5-[3-methylsulfanyl-5-(1H-pyrazol-4-yl)phenyl]sulfanylthiophen-2-yl]methanamine.
What is the SMILES notation for [5-[3-methylsulfanyl-5-(1H-pyrazol-4-yl)phenyl]sulfanylthiophen-2-yl]methanamine?
The canonical SMILES for [5-[3-methylsulfanyl-5-(1H-pyrazol-4-yl)phenyl]sulfanylthiophen-2-yl]methanamine is CSc1cc(Sc2ccc(CN)s2)cc(-c2cn[nH]c2)c1.
What is the InChIKey of [5-[3-methylsulfanyl-5-(1H-pyrazol-4-yl)phenyl]sulfanylthiophen-2-yl]methanamine?
The InChIKey is JKTQPQSHFDUISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S3/c1-19-13-4-10(11-8-17-18-9-11)5-14(6-13)21-15-3-2-12(7-16)20-15/h2-6,8-9H,7,16H2,1H3,(H,17,18).
What are the key properties of [5-[3-methylsulfanyl-5-(1H-pyrazol-4-yl)phenyl]sulfanylthiophen-2-yl]methanamine?
[5-[3-methylsulfanyl-5-(1H-pyrazol-4-yl)phenyl]sulfanylthiophen-2-yl]methanamine has a molecular weight of 333.51 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-methylsulfanyl-5-(1H-pyrazol-4-yl)phenyl]sulfanylthiophen-2-yl]methanamine is sourced from PubChem (CID 145352747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).